SCHEMBL17487972

SCHEMBL17487972

CCCCCC1CCC(c2ccc(-c3ccc(CCc4ccc(-c5ccc(OC(F)(F)F)c(F)c5)c(F)c4)c(F)c3F)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.35
NAAA Q02083 1/20 0.35
FFAR4 Q5NUL3 2/20 0.33
RARB P10826 1/20 0.32
SPHK1 Q9NYA1 3/20 0.31
GRM2 Q14416 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17487695 0.91 FFAR4 (0.34) CTSKNAAAFFAR4CYP2C9
SCHEMBL17487982 0.89 CTSK (0.36) CTSKNAAAFFAR4GRM2
SCHEMBL17490457 0.88 CTSK (0.37) CTSKNAAAFFAR4GRM2CYP3A4
SCHEMBL17487969 0.88 RARB (0.35) FFAR4RARBSPHK1CYP3A4CYP2C9
SCHEMBL17208629 0.85 CTSK (0.37) CTSKNAAACYP3A4CYP2C9
SCHEMBL18779813 0.84 CYP2C9 (0.37) FFAR4RARBSPHK1CYP3A4CYP2C9
SCHEMBL8747919 0.84 SPHK1 (0.34) CTSKNAAASPHK1
SCHEMBL17487692 0.83 SPHK1 (0.36) FFAR4SPHK1CYP3A4CYP2C9
SCHEMBL8747937 0.83 SPHK1 (0.36) SPHK1
SCHEMBL8747938 0.83 SPHK1 (0.36) SPHK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9441161-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-09-13 US disclosed
US-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE OCIAD1, OCIAD2, PIEZO1 CTSK 2692/4885NAAA 4794/4885FFAR4 1903/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.